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MYCOLACTONE-A;[12-[(3E)-6,8-DIHYDROXY-1,3,5-TRIMETHYL-3-NONENYL]-(9Z)-7,9-DIMETHYL-2-OXOOXACYCLODODEC-9-EN-6-YL]-(2E,4Z,6E,8E,10E)-12,13,15-TRIHYD
SpectraBase Compound ID 26onqkXMiVV
InChI InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21-,31-17+,32-23+
InChIKey WKTLNJXZVDLRTJ-JTXNQHQZSA-N
Mol Weight 743.0 g/mol
Molecular Formula C44H70O9
Exact Mass 742.501984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2jrP0rTIru
Name MYCOLACTONE-A;[12-[(3E)-6,8-DIHYDROXY-1,3,5-TRIMETHYL-3-NONENYL]-(9Z)-7,9-DIMETHYL-2-OXOOXACYCLODODEC-9-EN-6-YL]-(2E,4Z,6E,8E,10E)-12,13,15-TRIHYD
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H70O9
InChI InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21-,31-17+,32-23+
InChIKey WKTLNJXZVDLRTJ-JTXNQHQZSA-N
Literature Reference Author G.GUNAWARDANA,D.CHATTERJEE,K.M.GEORGE,P.BRENNAN,D.WHITTERN,P .L.C.SMALL
Literature Reference Citation J.AM.CHEM.SOC.,121,6092(1999)
Literature Reference DOI 10.1021/ja990017l
Molecular Weight 743.034 g/mol
Solvent ACETONE-D6
Source File Reference UWRU11424